2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide

2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide

Formula: C25H22ClN3O2S2

SMILES: CC1=CC=CC=C1NC(=O)CSC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1C1=CC=C(Cl)C=C1

IUPAC: 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide

InChI: InChI=1S/C25H22ClN3O2S2/c1-15-6-2-4-8-19(15)27-21(30)14-32-25-28-23-22(18-7-3-5-9-20(18)33-23)24(31)29(25)17-12-10-16(26)11-13-17/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3,(H,27,30)

Composition: C (60.53%), H (4.47%), Cl (7.15%), N (8.47%), O (6.45%), S (12.93%)

Molar Mass: 496.04

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	495.084197
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YCMRYGQQGAZELA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.02
Topological Polar Surface Area	61.77
Polarizability	51.13
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H22ClN3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00